UCSF

ZINC53243802

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 19 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.97 4.77 -40.35 2 5 -1 81 273.703 1
Mid Mid (pH 6-8) 1.77 5.57 -15.4 3 5 0 77 274.711 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )